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Wannier.jl Public
Forked from qiaojunfeng/Wannier.jlA playground for Wannier functions
Julia Other UpdatedJun 12, 2024 -
ai_for_chemistry Public
AI for Chemistry Spring 2024
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DFTK.jl Public
Forked from JuliaMolSim/DFTK.jlDensity-functional toolkit
Julia MIT License UpdatedApr 23, 2024 -
PseudoPotentialIO.jl Public
Support for reading and using pseudopotentials in Julia
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AiidaDFTK.jl Public
Forked from mfherbst/AiidaDFTK.jlJulia-side implementation of the Aiida plugin of DFTK
Julia MIT License UpdatedJan 14, 2024 -
TBmodels Public
Forked from Z2PackDev/TBmodelsA tool for creating and manipulating tight-binding models.
Python Apache License 2.0 UpdatedDec 11, 2023 -
XCrySDenStructureFormat.jl Public
XCrySDen XSF read/write support for Julia
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AtomsIO.jl Public
Forked from mfherbst/AtomsIO.jlStandard input/output package for AtomsBase-compatible structures
Julia MIT License UpdatedAug 14, 2023 -
aiida-common-workflows Public
Forked from aiidateam/aiida-common-workflowsA repository for the implementation of common workflow interfaces across materials-science codes and plugins
Python MIT License UpdatedJul 10, 2023 -
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PseudoLibrary Public
Forked from JuliaMolSim/PseudoLibraryRepository to host tarballs of standard pseudopotential libraries
Julia UpdatedNov 9, 2022 -
acwf-verification-scripts Public
Forked from aiidateam/acwf-verification-scriptsScripts to run and perform data analysis on the AiiDA common workflows (ACWF) subproject on verification
Python MIT License UpdatedApr 14, 2022 -
aiida-core Public
Forked from aiidateam/aiida-coreThe official repository for the AiiDA code
Python Other UpdatedDec 8, 2021 -
aiida-basis Public
A plugin that simplifies working with basis sets
Python MIT License UpdatedSep 21, 2021 -
aiida-openmx Public
AiiDA plugin for the OpenMX DFT code
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EE-559 Public archive
EE-559 Deep Learning at EPFL
Python GNU General Public License v3.0 UpdatedJun 25, 2021 -
abipy Public
Forked from abinit/abipyOpen-source library for analyzing the results produced by ABINIT
Python Other UpdatedJun 16, 2021 -
aiida-submission-controller Public
Forked from aiidateam/aiida-submission-controllerA prototype of a class to help controlling the number of submissions performed at any given time
Python MIT License UpdatedJun 16, 2021 -
aiida-quantumespresso Public
Forked from aiidateam/aiida-quantumespressoThe official AiiDA plugin for Quantum ESPRESSO
Python Other UpdatedJun 7, 2021 -
openmx-tools Public
Tools for working with OpenMX
Python GNU General Public License v3.0 UpdatedMar 15, 2021